[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenylisoxazol-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-phenyl-3-isoxazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone Traditional Name: (5-phenylisoxazol-3-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NOC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NOC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N3O4/c26-22(18-13-20(29-23-18)17-4-2-1-3-5-17)25-10-8-24(9-11-25)14-16-6-7-19-21(12-16)28-15-27-19/h1-7,12-13H,8-11,14-15H2/p+1